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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
Experiment start date - 09 July 2003; Experiment end date - 12 July 2003; Study completion date - 28 August 2003.
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
other: Calculation method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
Identity: FAT 40812/A
Batch: WP 8/03
Appearance: Solid, dark red-brownish powder
Expiration date: 23 April 2010
Storage: At room temperature at about 20 °C
Analytical method:
high-performance liquid chromatography
Type:
log Pow
Partition coefficient:
< -5.5
Remarks on result:
other: pH not available
Details on results:
Neither the HPLC-method according to OECD Guideline No. 117 nor the flask-shaking method according to OECD Guideline No. 107 were applicable for the determination of the partition coefficient of FAT 40'812. Thus, the log Pow-value for the test item was estimated from its solubility in n-octanol and in water, respectively. In the preliminary test, the n-octanol solubility of FAT 40'812/A was determined to be <1.2012 µg/mL. The water solubility of FAT 40812/A was found to be >419 g/L at room temperature using the flask shaking test.
Conclusions:
The calculated partition coefficient of the test substance between n-octanol and aqueous phase is: log Pow ≤-5.5
Executive summary:

In a GLP-compliant study, performed according to OECD guideline 117 and 107, the partition coefficient of the test substance between n-octanol and aqueous phase was determined. Neither the HPLC-method nor the flask-shaking method were applicable for the determination of the partition coefficient of the test substance. Thus, the log Pow-value for the test item was estimated from its solubility in n-octanol and in water. The calculated partition coefficient of the test substance between n-octanol and aqueous phase is log Pow -5.5.

Description of key information

In a GLP-compliant study, performed according to OECD guideline 117 and 107, the partition coefficient of the test substance between n-octanol and aqueous phase was determined. Neither the HPLC-method nor the flask-shaking method were applicable for the determination of the partition coefficient of the test substance. Thus, the log Pow-value for the test item was estimated from its solubility in n-octanol and in water. The calculated partition coefficient of the test substance between n-octanol and aqueous phase is log Pow = <-5.5.

Key value for chemical safety assessment

Log Kow (Log Pow):
-5.5
at the temperature of:
20 °C

Additional information

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